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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50049601   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM50049601
PNG
(6-{[(4-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1ccc(cc1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(11-4-6-12(23-2)7-5-11)9-10-3-8-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM50049601
PNG
(6-{[(4-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1ccc(cc1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(11-4-6-12(23-2)7-5-11)9-10-3-8-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)


Article DOI: 10.1021/jm040153n
BindingDB Entry DOI: 10.7270/Q2V40TQ3
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049601
PNG
(6-{[(4-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1ccc(cc1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(11-4-6-12(23-2)7-5-11)9-10-3-8-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
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MMDB

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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049601
PNG
(6-{[(4-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1ccc(cc1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(11-4-6-12(23-2)7-5-11)9-10-3-8-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
PDB
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UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of rat liver dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)


Article DOI: 10.1021/jm040153n
BindingDB Entry DOI: 10.7270/Q2V40TQ3
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)
BDBM50049601
PNG
(6-{[(4-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1ccc(cc1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(11-4-6-12(23-2)7-5-11)9-10-3-8-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)


Article DOI: 10.1021/jm040153n
BindingDB Entry DOI: 10.7270/Q2V40TQ3
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049601
PNG
(6-{[(4-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1ccc(cc1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(11-4-6-12(23-2)7-5-11)9-10-3-8-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair